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BDBM50145136 CHEMBL3763963

SMILES: Cn1ccnc1C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=CTGPUFQNQVNVGF-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50145136   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145136
PNG
(CHEMBL3763963)
Show SMILES Cn1ccnc1C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N5O/c1-29-10-9-25-19(29)16-17(11-5-7-12(8-6-11)21(22,23)24)26-14-4-2-3-13-15(14)18(16)27-28-20(13)30/h2-10,16-17,26H,1H3,(H,28,30)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 27n/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay


J Med Chem 59: 335-57 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WJR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145136
PNG
(CHEMBL3763963)
Show SMILES Cn1ccnc1C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N5O/c1-29-10-9-25-19(29)16-17(11-5-7-12(8-6-11)21(22,23)24)26-14-4-2-3-13-15(14)18(16)27-28-20(13)30/h2-10,16-17,26H,1H3,(H,28,30)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 5.30n/an/an/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis


J Med Chem 59: 335-57 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WJR
More data for this
Ligand-Target Pair